the users guide.
>
> Sincerely yours,
> S. Jalali
>
> *From:* Muhammad Sajjad
> *To:* A Mailing list for WIEN2k users
> *Sent:* Tuesday, September 3, 2013 1:15 PM
> *Subject:* Re: [Wien] Error in mBJGGA
>
> Dear F. Tran
> Thank you for correction. I made a mista
indxc to 28
and copes case.in0 to case.ino_grr and sets indxc to 50 in case.in0_grr. For
more information see 4.5.9 section of the users guide.
Sincerely yours,
S. Jalali
From: Muhammad Sajjad
To: A Mailing list for WIEN2k users
Sent: Tuesday, September 3, 2013 1:15 PM
Subject: Re: [Wien] Er
Dear F. Tran
Thank you for correction. I made a mistake in case.in0_grr by selecting
indxc value 55 instead of 50, and I am repeating this mistake for two days
:(
True Regards
M. Sajjad
On Tue, Sep 3, 2013 at 3:57 PM, wrote:
> Hi,
>
> you have probably not selected the correct value for indxc
Hi,
you have probably not selected the correct value for indxc in case.in0 or
case.in0_grr. It should be 28 in case.in0 and 50 in case.in0_grr.
I guess that you did it correctly for 0.25 doping.
F. Tran
On Tue, 3 Sep 2013, Muhammad Sajjad wrote:
Dear Wien2k users
I am am running mBJGGA calcu
Dear Wien2k users
I am am running mBJGGA calculations for ternary alloy. the super cell is of
8 atoms and doping is 0.75. For 0.25 doping, the mBJGGA calculations (spin
is involved) have completed with no error, but for 0.75 doping the
following error is appearing.
[msajjad@msajjad SCF75]$ runsp
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